N-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine

C14H21N3O3 — CID 106639706

IUPACN-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESO=[N+]([O-])c1ccc(CN(CC2CCCNC2)C2CC2)o1
InChIInChI=1S/C14H21N3O3/c18-17(19)14-6-5-13(20-14)10-16(12-3-4-12)9-11-2-1-7-15-8-11/h5-6,11-12,15H,1-4,7-10H2
InChIKeyVNBPMARCNKZVMQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.15
Rot. Bonds6

About N-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine

N-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine (PubChem CID 106639706) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
PubChem CID106639706
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESO=[N+]([O-])c1ccc(CN(CC2CCCNC2)C2CC2)o1
InChIInChI=1S/C14H21N3O3/c18-17(19)14-6-5-13(20-14)10-16(12-3-4-12)9-11-2-1-7-15-8-11/h5-6,11-12,15H,1-4,7-10H2
InChIKeyVNBPMARCNKZVMQ-UHFFFAOYSA-N
XLogP2.15
TPSA71.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-[(5-nitrofuran-2-yl)methyl]piperidin-3-amine
CID 63638343
N-[(4,5-dibromofuran-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106625020
N-[(5-nitrofuran-2-yl)methyl]-N-propylpyrrolidin-3-amine
CID 63301113
3-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]piperidine
CID 62357016
N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine
CID 96555707
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639763
N-[(4-chlorophenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride
CID 119930119
N-(1H-imidazol-5-ylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639662
N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624936
N-[[4-(difluoromethyl)phenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624895
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106625038
N-[(5-ethylfuran-2-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715370

Frequently Asked Questions

What is the IUPAC name of N-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine (CID 106639706) is N-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine is O=[N+]([O-])c1ccc(CN(CC2CCCNC2)C2CC2)o1.
What is the InChIKey of N-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The InChIKey is VNBPMARCNKZVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c18-17(19)14-6-5-13(20-14)10-16(12-3-4-12)9-11-2-1-7-15-8-11/h5-6,11-12,15H,1-4,7-10H2.
What are the key properties of N-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
N-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine has a molecular weight of 279.34 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106639706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).